ChemSpider 2D Image | Cyclo(D-leucyl-L-tryptophyl-6-oxidanyl-6-oxidanylidene-L-norleucyl-D-prolyl-L-valyl) | C33H46N6O7

Cyclo(D-leucyl-L-tryptophyl-6-oxidanyl-6-oxidanylidene-L-norleucyl-D-prolyl-L-valyl)

  • Molecular FormulaC33H46N6O7
  • Average mass638.754 Da
  • Monoisotopic mass638.342773 Da
  • ChemSpider ID23213566

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Cyclo(D-leucyl-L-tryptophyl-6-oxidanyl-6-oxidanylidene-L-norleucyl-D-prolyl-L-valyl) [ACD/IUPAC Name]
Cyclo(D-leucyl-L-tryptophyl-6-oxidanyl-6-oxidanyliden-L-norleucyl-D-prolyl-L-valyl) [German] [ACD/IUPAC Name]
Cyclo(D-leucyl-L-tryptophyl-6-oxido-6-oxy-L-norleucyl-D-prolyl-L-valyl) [ACD/Index Name]
Cyclo(D-leucyl-L-tryptophyl-6-oxydanyl-6-oxydanylidène-L-norleucyl-D-prolyl-L-valyl) [French] [ACD/IUPAC Name]
4-[(5S,8S,11R,14S,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-butyric acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1051.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.2±3.0 kJ/mol
Flash Point: 589.7±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.97
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 490.3±5.0 cm3

Click to predict properties on the Chemicalize site


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